SCHEMBL25335302

SCHEMBL25335302

COc1ncc(C=O)c(Cl)c1Br

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 1/20 0.37
▸ CCR4 P51679 11/20 0.33
▸ ERN1 O75460 2/20 0.33
▸ SRC P12931 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ S100A9 P06702 2/20 0.32
▸ CCR5 P51681 1/20 0.32
▸ LMNA P02545 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30429927 0.72 PRKDC (0.34) PRKDCERN1KDM4EALDH1A1TSHR
SCHEMBL29951175 0.71 ERN1 (0.46) PRKDCERN1SRCKDM4EALDH1A1
SCHEMBL30498408 0.71 CA1 (0.37) PRKDCERN1SRCKDM4EALDH1A1
SCHEMBL28216990 0.71 CCR1 (0.41) PRKDCERN1KDM4EALDH1A1TSHR
SCHEMBL25342803 0.71 ERN1 (0.41) PRKDCCCR4ERN1ALDH1A1S100A9
SCHEMBL29587853 0.71 CCR1 (0.41) PRKDCERN1KDM4EALDH1A1TSHR
SCHEMBL8580981 0.71 ALDH1A1 (0.49) CCR4ERN1SRCKDM4EALDH1A1
SCHEMBL671095 0.71 ERN1 (0.46) PRKDCERN1EGFRERBB2KDM4E
SCHEMBL5784164 0.71 ERN1 (0.46) PRKDCERN1SRCKDM4EALDH1A1
SCHEMBL25758165 0.71 CA1 (0.37) PRKDCERN1SRCKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250101019-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP1) INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (HK) 2025-03-27 — — US disclosed
EP-4469456-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP1) INHIBITORS AND USES THEREOF Insilico Medicine IP Limited (HK) 2024-12-04 — — EP disclosed
CN-118871439-A Inhibitors of ectonucleotide pyrophosphatase-phosphodiesterase (ENPP 1) and uses thereof 英矽智能科技知识产权有限公司 2024-10-29 — — CN disclosed
WO-2023143520-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP1) INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-08-03 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250101019-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, ENPP2 PRKDC 542/4885CCR4 4841/4885ERN1 376/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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